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Papers
| 9. |
A.S. Malisetty, A.E. Kwame, L. Colombi Ciacchi, D. Brüggemann, S. Köppen-Hannemann
Ionic Shielding of Electrostatic Interactions of Fibrinogen during Aggregate Formation: a Molecular Dynamics Study
Submitted
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| 8. |
A. Dellwisch, L. Colombi Ciacchi, T. Neudecker
Mechanochemical Activation of Spiropyran in PMMA - A Hybrid Quantum Chemical/ Atomistic/Coarse-Grained Approach
Submitted ;
ChemRxiv
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| 7. |
M. Michaelis, L. Thiessen, B. Santos-Carballal, L. Colombi Ciacchi, M. Delle Piane
Finding needles in the miRNA conformational haystack: A data-driven integration of structural and spectral metrics
Submitted
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| 6. |
F. Menke, S. Amiri, K. Rezwan, L. Colombi Ciacchi, M. Maas
Temperature-dependent behavior of C14-C18 alkyl surfactants with ionizable and neutral head groups at the water-decane interface
Submitted
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| 5. |
X. Wang, E. Bainglass, M. Bonacci, A. Ortega-Guerrero, L. Bastonero, M. Bercx, P. Bonfà, R. De Renzi, D. Du, P. N. O. Gillespie, M. A. Hernández-Bertrán, D. Hollas, S. P. Huber, E. Molinari, I. J. Onuorah, N. Paulish, D. Prezzi, J. Qiao, T. Reents, C. J. Sewell, I. Timrov, A. V. Yakutovich, J. Yu, N. Marzari, C. A. Pignedoli, G. Pizzi
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
Submitted ;
arXiv
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| 4. |
M. von Einem, F. Balzaretti, M. Romero, W. Dononelli, L. Colombi Ciacchi, G. Franzese, S. Köppen-Hannemann
Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study
Materials Advances, DOI: 10.1039/d5ma01085c (2026)
Full text
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| 3. |
K. Warda, E. Macke, I. Timrov, L. Colombi Ciacchi, P.M. Kowalski
Getting the manifold right: The crucial role of orbital resolution in DFT+U for mixed d-f electron compounds
Journal of Chemical Theory and Computation, DOI: 10.1021/acs.jctc.5c01406 (2026)
Full text;
arXiv
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| 2. |
S. Grillo, C. Cignarella, F. Bechstedt, P. Gori, M. Palummo, D. Campi, N. Marzari,O. Pulci
Quasiparticle Effects and Strong Excitonic Features in Exfoliable 1D Semiconducting Materials
ACS Nano, DOI: 10.1021/acsnano.5c14061 (2026)
Full text
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| 1. |
Y.R. Corrales Ureña, I. Lieberwirth, P.L.M. Noeske, F. Arroyo Vargas, D. Batista Menezes, R. Pereira-Reyes, J.R. Vega-Baudrit
Key features enabling water repellency in velvet worm skin: Overhanging scales and carbonate-wax synergy
JCIS Open 21, 100165 (2026)
Full text
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